LIPID MAPS

Structure Database (LMSD)

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Common Name

Asparanin A

Systematic Name

3-O-{[β-d-glucopyranosyl(1-2)]-β-d-glucopyranosyl}-(25S)-5β-spirostan-3β-ol

Synonyms

LM ID

LMST01070035

Formula

C₃₉H₆₄O₁₃

Exact Mass

Calculate m/z

740.434695

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Asparagus racemosus (#272846)

Magnoliopsida (#3398)

Steroidal saponins from the roots of Asparagus racemosus.,
Phytochemistry, 2008

Pubmed ID: 17936315

String Representations

InChiKey (Click to copy)

MMTWXUQMLQGAPC-XIBAMJMMSA-N

InChi (Click to copy)

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1

SMILES (Click to copy)

C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OC[C@@H](C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C